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Compound Detail

CHEMBL265800

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O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL265800
Phase Preclinical
Structure Type MOL
InChI Key YQMLLGZKCIGBDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
4.84
ALogP
6
HBA
1
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN5O2
MW 411.89
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
11229767 10.1016/s0960-894x(00)00718-6 ADMET 2
11229767 10.1016/s0960-894x(00)00718-6 T-cell 1

Data from ChEMBL 36 via Core Engine